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5-amino-2-methylpyrimidin-4(3H)-one
5-amino-2-methylpyrimidin-4(3H)-one ID: B187241
CAS:53135-22-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(=O)[nH]c(ncc1N)C	
FORMULA: C5H7N3O
MASS: 125.1286
EXACT MASS: 125.0589119
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7458     0.0000 
   C   3    0.7325     1.2833     0.0000 
   N   4    1.4766     1.2750     1.2885     0.0000 
   C   5    1.2792     1.4792     0.7483     0.7417     0.0000 
   C   6    1.2843     0.7354     1.4876     0.7396     1.2859     0.0000 
   O   7    0.7426     1.2885     1.2750     2.2192     1.9588     1.9610 
   N   8    1.2781     1.9606     0.7375     1.9609     1.2848     2.2250 
   C   9    1.9581     1.2750     2.2250     1.2822     1.9607     0.7375 

              O   7      N   8      C   9
              ---------------------------------
   O   7    0.0000 
   N   8    1.4771     0.0000 
   C   9    2.5635     2.9625     0.0000 



ATOMIC CHARGES
   C   1    0.2986292537
   N   2   -0.1917559195
   C   3    0.1657609152
   N   4   -0.2275118987
   C   5    0.1231413779
   C   6    0.1429314934
   O   7   -0.2636091591
   N   8   -0.1213519417
   C   9    0.0737658788


BOND ANGLES
   2    1    3  Nar  Car  Car    120.472
   2    1    7  Nar  Car   O2    119.912
   3    1    7  Car  Car   O2    119.616
   1    2    6  Car  Nar  Car    120.231
   1    3    5  Car  Car  Car    119.502
   1    3    8  Car  Car  Npl    120.795
   5    3    8  Car  Car  Npl    119.703
   5    4    6  Car  Nar  Car    120.466
   3    5    4  Car  Car  Nar    119.703
   2    6    9  Nar  Car   C3    119.908
   2    6    4  Nar  Car  Nar    119.626
   4    6    9  Nar  Car   C3    120.466


TORSION ANGLES
   6    2    1    3      0.026
   6    2    1    7    179.974
   5    3    1    2      0.026
   5    3    1    7    179.974
   8    3    1    2    179.974
   8    3    1    7      0.026
   6    4    5    3      0.026
   4    5    3    1      0.026
   4    5    3    8    179.974
   9    6    2    1    179.974
   4    6    2    1      0.026
   2    6    4    5      0.026
   9    6    4    5    179.974